2-azanyl-3-[4-(3-methyl-4-oxidanyl-phenoxy)-3,5-di(propan-2-yl)phenyl]propanoic acid

Systemtic Name: 2-azanyl-3-[4-(3-methyl-4-oxidanyl-phenoxy)-3,5-di(propan-2-yl)phenyl]propanoic acid Openeye Name: 2-amino-3-[4-(4-hydroxy-3-methyl-phenoxy)-3,5-diisopropyl-phenyl]propanoic acid CAS Name: 2-amino-3-[4-(4-hydroxy-3-methylphenoxy)-3,5-di(propan-2-yl)phenyl]propanoic acid IUPAC Name: 2-amino-3-[4-(4-hydroxy-3-methylphenoxy)-3,5-di(propan-2-yl)phenyl]propanoic acid Traditional Name: 2-amino-3-[4-(4-hydroxy-3-methyl-phenoxy)-3,5-diisopropyl-phenyl]propionic acid Formula: C22H29NO4 MolecularWeight: 371.46996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC2=C(C=C(C=C2C(C)C)CC(C(=O)O)N)C(C)C)O

Isomeric SMILES

CC1=C(C=CC(=C1)OC2=C(C=C(C=C2C(C)C)CC(C(=O)O)N)C(C)C)O

InChI

InChI=1S/C22H29NO4/c1-12(2)17-9-15(11-19(23)22(25)26)10-18(13(3)4)21(17)27-16-6-7-20(24)14(5)8-16/h6-10,12-13,19,24H,11,23H2,1-5H3,(H,25,26)